SCHEMBL17209331

SCHEMBL17209331

COc1cc(CNC(=O)Cc2c[nH]c3ccc(O)cc23)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.70
GABRP O00591 3/20 0.58
GABRD O14764 3/20 0.58
GABRA1 P14867 3/20 0.58
GABRB1 P18505 3/20 0.58
GABRG2 P18507 3/20 0.58
GABRB3 P28472 3/20 0.58
GABRA5 P31644 3/20 0.58
GABRA3 P34903 3/20 0.58
GABRA2 P47869 3/20 0.58
GABRB2 P47870 3/20 0.58
GABRA4 P48169 3/20 0.58
GABRE P78334 3/20 0.58
GABRA6 Q16445 3/20 0.58
GABRG1 Q8N1C3 3/20 0.58
GABRG3 Q99928 3/20 0.58
GABRQ Q9UN88 3/20 0.58
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 2/20 0.51
HPGD P15428 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL802769 0.87 TRPV1 (0.63) KMT2AALDH1A1HPGDNPSR1CYP1A2
N-Dihydroferuloyl Serotonin SCHEMBL10070990 0.82 TRPV1 (0.61) ALDH1A1HPGDNPSR1CYP1A2CYP3A4
SCHEMBL7023934 0.79 LMNA (0.64) KMT2AALDH1A1CYP2C9HPGDPMP22
SCHEMBL8168115 0.79 ALDH1A1 (0.67) KMT2AALDH1A1CYP2C9HPGDPMP22
SCHEMBL12720712 0.78 SPR (0.58) KMT2AALDH1A1CYP2C9HPGDPMP22
SCHEMBL27337415 0.76 KMT2A (0.69) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL7528872 0.75 ERCC1 (0.73) KMT2AALDH1A1CYP2C9HPGDPMP22
SCHEMBL7529264 0.75 ERCC1 (0.73) KMT2AALDH1A1CYP2C9HPGDPMP22
SCHEMBL20182374 0.75 NPSR1 (0.68) KMT2AALDH1A1CYP2C9HPGDPMP22
SCHEMBL853729 0.75 NPSR1 (0.68) KMT2AALDH1A1CYP2C9HPGDPMP22

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015162216-A1 BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2015-10-29 WO disclosed